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Chemical ID: 7720556
Chemical ID:
7720556
Name [?]:
None
SMILES [?]:
CCN(Cc1ccccc1)c2c3c(ccs3)n4c(n2)c(nn4)S(=O)(=O)c5ccc(cc5)C
InChi [?]:
InChI=1/C23H21N5O2S2/c1-3-27(15-17-7-5-4-6-8-17)21-20-19(13-14-31-20)28-22(24-21)23(25-26-28)32(29,30)18-11-9-16(2)10-12-18/h4-14H,3,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,8,7,9,6,10,28,30,27,31,14,15,4,29,5,26,13,12,11,18,20,19,21,22,3,17,24,25,16,23/E:(5,6)(7,8)(9,10)(11,12)(29,30)/CRV:32.6/rA:32nCCNCCCCCCCCCCCCSNCNCNNSOOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;s11;d12;s13;d14;s12s15;s13;s17;d11s18;d18;s20;s17d21;s20;d23;d23;s23;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N5O2S2 |
All Atoms: | 53 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.8563 |
Area: | 659.228 |
Solvation: | -2.62444 |
Coulombic: | -27.3233 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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